(2S)-N-[(1S)-1-{[(2S)-1-[(2S)-2-{[(1S)-5-{[3',6'-bis(dimethylamino)-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl]formamido}-1-carbamoylpentyl]carbamoyl}pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl}-2-carbamoylethyl]-2-[(2S)-2-[(2R)-2-[3-(4-hydroxyphenyl)propanamido]-3-(4-methoxyphenyl)propanamido]-3-phenylpropanamido]pentanediamide

化合物标识与属性

PubChem CID

177527173

SMILES

CN(C)C1=CC2=C(C=C1)C3(C4=C(C=C(C=C4)C(=O)NCCCC[C@@H](C(=O)N)NC(=O)[C@@H]5CCCN5C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC6=CC=CC=C6)NC(=O)[C@@H](CC7=CC=C(C=C7)OC)NC(=O)CCC8=CC=C(C=C8)O)C(=O)O3)C9=C(O2)C=C(C=C9)N(C)C

Canonical SMILES

COc1ccc(C[C@@H](NC(=O)CCc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCNC(=O)c2ccc3c(c2)C(=O)OC32c3ccc(N(C)C)cc3Oc3cc(N(C)C)ccc32)C(N)=O)cc1