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(3S)-4-[[(2S)-4-azanyl-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-azanyl-1-[[(2S)-4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-oxidanyl-propanoyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name:	(3S)-4-[[(2S)-4-azanyl-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-azanyl-1-[[(2S)-4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-oxidanyl-propanoyl]amino]-4-oxidanylidene-butanoic acid
Openeye Name:	(3S)-4-[[(1S)-3-amino-1-[[(1S)-1-[[(1S)-2-[[(1S)-4-amino-1-[[(1S)-1-carboxy-3-methylsulfanyl-propyl]carbamoyl]-4-oxo-butyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-3-oxo-propyl]amino]-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-propanoyl]amino]-4-oxo-butanoic acid
CAS Name:	(3S)-4-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-hydroxy-4-(methylthio)-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]-4-oxobutanoic acid
IUPAC Name:	(3S)-4-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-hydroxy-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoic acid
Traditional Name:	(3S)-4-[[(1S)-3-amino-1-[[(1S)-1-[[(1S)-2-[[(1S)-4-amino-1-[[(1S)-1-carboxy-3-(methylthio)propyl]carbamoyl]-4-keto-butyl]amino]-1-(4-hydroxybenzyl)-2-keto-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-3-keto-propyl]amino]-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-propanoyl]amino]-4-keto-butyric acid
Formula:	C₄₈H₆₉N₁₁O₁₈S
MolecularWeight:	1120.18936

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCC(=O)N)C(=O)NC(CCSC)C(=O)O)NC(=O)C(CC(=O)N)NC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(CC2=CC=C(C=C2)O)N

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCSC)C(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CC2=CC=C(C=C2)O)N

InChI

InChI=1S/C48H69N11O18S/c1-23(2)16-31(42(70)55-32(18-25-6-10-27(63)11-7-25)43(71)52-29(12-13-37(50)64)41(69)53-30(48(76)77)14-15-78-3)54-44(72)33(19-38(51)65)56-45(73)34(20-39(66)67)57-46(74)36(22-61)59-47(75)35(21-60)58-40(68)28(49)17-24-4-8-26(62)9-5-24/h4-11,23,28-36,60-63H,12-22,49H2,1-3H3,(H2,50,64)(H2,51,65)(H,52,71)(H,53,69)(H,54,72)(H,55,70)(H,56,73)(H,57,74)(H,58,68)(H,59,75)(H,66,67)(H,76,77)/t28-,29-,30-,31-,32-,33-,34-,35-,36-/m0/s1

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