(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(1R,4S,7S,10S,13S,16R,21R,24S,31R)-7-(4-aminobutyl)-10-(3-amino-3-oxo-propyl)-31-[[(2S)-3-carboxy-2-[[(2S)-1-[(2S)-4-methyl-2-[[(2S)-1-(5-oxopyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-13-(3-guanidinopropyl)-4-[(1R)-1-hydroxyethyl]-24-(hydroxymethyl)-3,6,9,12,15,23,26,32-octaoxo-18,19,28,29-tetrathia-2,5,8,11,14,22,25,33-octazabicyclo[14.10.7]tritriacontane-21-carbonyl]amino]-5-guanidino-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-[[(1S)-1-[[(1S)-1-[[(1S)-2-[[2-[[(1S)-2-[[2-[[(1S)-3-amino-1-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[2-[[(1S,2S)-1-[[(1S)-1-[[(1S,2R)-1-[[(1S)-1-carbamoyl-3-methyl-butyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-methyl-butyl]amino]-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]amino]-1-(1H-i

化合物标识与属性

CAS

205640-90-0

PubChem CID

176450962

SMILES

CC[C@H](C)[C@@H](C(=N[C@@H](CC(C)C)C(=N[C@@H]([C@@H](C)O)C(=N[C@@H](CC(C)C)C(=N)O)O)O)O)N=C(CN=C([C@H](C)N=C([C@H](C)N=C([C@H](CC1=CN=CN1)N=C([C@H](CC(=N)O)N=C(CN=C([C@H](C)N=C(CN=C([C@H](CC2=CN=CN2)N=C([C@H](CC(C)C)N=C([C@H](CC(C)C)N=C([C@H](CCC(=O)O)N=C([C@H](CC3=CC=C(C=C3)O)N=C([C@H](CC(C)C)N=C([C@H](CCCNC(=N)N)N=C([C@@H]4CSSC[C@H]5C(=N[C@H](C(=N[C@H](C(=N[C@H](C(=N[C@H](C(=N[C@@H](CSSC[C@@H](C(=N5)O)N=C([C@H](CC(=O)O)N=C([C@@H]6CCCN6C(=O)[C@H](CC(C)C)N=C([C@@H]7CCCN7C(=O)C8CCC(=N8)O)O)O)O)C(=N[C@H](C(=N4)O)CO)O)O)[C@@H](C)O)O)CCCCN)O)CCC(=N)O)O)CCCNC(=N)N)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O

Canonical SMILES

CC[C@H](C)[C@H](N=C(O)CN=C(O)[C@H](C)N=C(O)[C@H](C)N=C(O)[C@H](Cc1cnc[nH]1)N=C(O)[C@H](CC(=N)O)N=C(O)CN=C(O)[C@H](C)N=C(O)CN=C(O)[C@H](Cc1cnc[nH]1)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H]1CSSC[C@@H]2N=C(O)[C@@H](N=C(O)[C@H](CC(=O)O)N=C(O)[C@@H]3CCCN3C(=O)[C@H](CC(C)C)N=C(O)[C@@H]3CCCN3C(=O)C3CCC(O)=N3)CSSC[C@H](N=C(O)[C@H]([C@@H](C)O)N=C(O)[C@H](CCCCN)N=C(O)[C@H](CCC(=N)O)N=C(O)[C@H](CCCNC(=N)N)N=C2O)C(O)=N[C@@H](CO)C(O)=N1)C(O)=N[C@@H](CC(C)C)C(O)=N[C@H](C(O)=N[C@@H](CC(C)C)C(=N)O)[C@@H](C)O