(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-5-azanyl-1-[[(2S)-4-methyl-1-oxidanylidene-1-[[(2R)-1-oxidanylidene-1-[(2S)-2-[[(2S)-1-oxidanylidene-1-[[(2R)-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-phenyl-propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-but-3-en-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]-2-[[(2S)-2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]pentanediamide

Systemtic Name: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-5-azanyl-1-[[(2S)-4-methyl-1-oxidanylidene-1-[[(2R)-1-oxidanylidene-1-[(2S)-2-[[(2S)-1-oxidanylidene-1-[[(2R)-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-phenyl-propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-but-3-en-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]-2-[[(2S)-2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]pentanediamide Openeye Name: (2S)-N-[(1S)-2-[[(1S)-1-[[(1S)-4-amino-1-[[(1S)-1-[[(1R)-1-benzyl-2-[(2S)-2-[[(1S)-1-benzyl-2-[[(1R)-1-benzyl-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]butyl]carbamoyl]-2-methyl-allyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]-2-[[(2S)-2,4-diamino-4-oxo-butanoyl]amino]pentanediamide CAS Name: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-4-methyl-1-oxo-1-[[(2R)-1-oxo-1-[(2S)-2-[oxo-[[(2S)-1-oxo-1-[[(2R)-1-oxo-3-phenylpropan-2-yl]amino]-3-phenylpropan-2-yl]amino]methyl]-1-pyrrolidinyl]-3-phenylpropan-2-yl]amino]pentan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobut-3-en-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-[[(2S)-2,4-diamino-1,4-dioxobutyl]amino]pentanediamide IUPAC Name: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-4-methyl-1-oxo-1-[[(2R)-1-oxo-1-[(2S)-2-[[(2S)-1-oxo-1-[[(2R)-1-oxo-3-phenylpropan-2-yl]amino]-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-phenylpropan-2-yl]amino]pentan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobut-3-en-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]pentanediamide Traditional Name: (2S)-N-[(1S)-2-[[(1S)-1-[[(1S)-4-amino-1-[[(1S)-1-[[(1R)-1-benzyl-2-[(2S)-2-[[(1S)-1-benzyl-2-[[(1R)-1-benzyl-2-keto-ethyl]amino]-2-keto-ethyl]carbamoyl]pyrrolidino]-2-keto-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]butyl]carbamoyl]-2-methyl-allyl]amino]-1-(4-hydroxybenzyl)-2-keto-ethyl]-2-[[(2S)-2,4-diamino-4-keto-butanoyl]amino]glutaramide Formula: C66H87N13O13 MolecularWeight: 1270.47628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)NC(CC3=CC=CC=C3)C(=O)NC(CC4=CC=CC=C4)C=O)NC(=O)C(CCCN)NC(=O)C(C(=C)C)NC(=O)C(CC5=CC=C(C=C5)O)NC(=O)C(CCC(=O)N)NC(=O)C(CC(=O)N)N

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@H](CC1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@H](CC4=CC=CC=C4)C=O)NC(=O)[C@H](CCCN)NC(=O)[C@H](C(=C)C)NC(=O)[C@H](CC5=CC=C(C=C5)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)N)N

InChI

InChI=1S/C66H87N13O13/c1-39(2)32-50(62(88)77-53(36-43-20-12-7-13-21-43)66(92)79-31-15-23-54(79)64(90)76-51(34-42-18-10-6-11-19-42)61(87)71-45(38-80)33-41-16-8-5-9-17-41)74-59(85)48(22-14-30-67)73-65(91)57(40(3)4)78-63(89)52(35-44-24-26-46(81)27-25-44)75-60(86)49(28-29-55(69)82)72-58(84)47(68)37-56(70)83/h5-13,16-21,24-27,38-39,45,47-54,57,81H,3,14-15,22-23,28-37,67-68H2,1-2,4H3,(H2,69,82)(H2,70,83)(H,71,87)(H,72,84)(H,73,91)(H,74,85)(H,75,86)(H,76,90)(H,77,88)(H,78,89)/t45-,47+,48+,49+,50+,51+,52+,53-,54+,57+/m1/s1