(2S)-1-[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(6S,12S,15S,18S,21S,27S,30S,33S,36S,39S,42S,45S,48S,51S,54S,57S,60S,63S,66S,69R,74R,77S)-69-amino-18-(2-amino-2-oxoethyl)-60-(3-carbamimidamidopropyl)-33-(2-carboxyethyl)-45,51-bis(carboxymethyl)-12,15,27,30,36,42,57,63-octakis(hydroxymethyl)-66-(1H-imidazol-4-ylmethyl)-54-methyl-39-(2-methylpropyl)-2,5,11,14,17,20,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,76-docosaoxo-48-propan-2-yl-71,72-dithia-1,4,10,13,16,19,25,28,31,34,37,40,43,46,49,52,55,58,61,64,67,75-docosazatetracyclo[75.3.0.06,10.021,25]octacontane-74-carbonyl]pyrrolidine-2-carbonyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl

化合物标识与属性

CAS

1802086-30-1

PubChem CID

172879948

SMILES

C[C@H]1C(=N[C@H](C(=N[C@H](C(=N[C@H](C(=N[C@H](C(=N[C@H](C(=N[C@H](C(=N[C@H](C(=N[C@H](C(=N[C@H](C(=O)N2CCC[C@H]2C(=N[C@H](C(=N[C@H](C(=N[C@H](C(=O)N3CCC[C@H]3C(=NCC(=O)N4CCC[C@H]4C(=N[C@@H](CSSC[C@@H](C(=N[C@H](C(=N[C@H](C(=N[C@H](C(=N[C@H](C(=N1)O)CO)O)CCCNC(=N)N)O)CO)O)CC5=CN=CN5)O)N)C(=O)N6CCC[C@H]6C(=N[C@@H](CCC(=O)O)C(=N[C@@H](CCCCN)C(=N[C@@H](C)C(=O)N7CCC[C@H]7C(=O)N8CCC[C@H]8C(=O)N9CCC[C@H]9C(=N[C@@H](CCC(=N)O)C(=N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=N[C@@H](CO)C(=N[C@@H](CC1=CN=CN1)C(=N[C@@H](CCC(=O)O)C(=NCC(=N[C@@H](CO)C(=N[C@@H](CC1=CC=C(C=C1)O)C(=N[C@@H](CC(C)C)C(=N[C@@H](CC(C)C)C(=N[C@@H](CCC(=N)O)C(=O)N1CCC[C@H]1C(=O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)CO)O)CO)O)CC(=N)O)O)CO)O)CO)O)CCC(=O)O)O)CO)O)CC(C)C)O)CO)O)CC(=O)O)O)C(C)C)O)CC(=O)O)O

Canonical SMILES

CC(C)C[C@H](N=C(O)[C@H](CC(C)C)N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@H](CO)N=C(O)CN=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](Cc1cnc[nH]1)N=C(O)[C@H](CO)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)N=C(O)[C@H](CCC(=N)O)N=C(O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](C)N=C(O)[C@H](CCCCN)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(O)=N[C@@H](Cc2cnc[nH]2)C(O)=N[C@@H](CO)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CO)C(O)=N[C@@H](C)C(O)=N[C@@H](CC(=O)O)C(O)=N[C@@H](C(C)C)C(O)=N[C@@H](CC(=O)O)C(O)=N[C@@H](CO)C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](CO)C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](CO)C(O)=N[C@@H](CO)C(=O)N2CCC[C@H]2C(O)=N[C@@H](CC(=N)O)C(O)=N[C@@H](CO)C(O)=N[C@@H](CO)C(=O)N2CCC[C@H]2C(O)=NCC(=O)N2CCC[C@H]2C(O)=N1)C(O)=N[C@@H](CCC(=N)O)C(=O)N1CCC[C@H]1C(=O)O