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(3S)-3-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanylpropanoyl]amino]propanoyl]amino]propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-[[(2S)-1-[[2-[[(2S)-4-azanyl-1-[[(2S,3R)-1-[[(2S)-4-methylsulfanyl-1-oxidanylidene-1-[[(2R)-1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-o

Systemtic Name:	(3S)-3-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanylpropanoyl]amino]propanoyl]amino]propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-[[(2S)-1-[[2-[[(2S)-4-azanyl-1-[[(2S,3R)-1-[[(2S)-4-methylsulfanyl-1-oxidanylidene-1-[[(2R)-1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-o
Openeye Name:	(3S)-3-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]-5-oxo-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-[[(1S)-2-[[2-[[(1S)-3-amino-1-[[(1S,2R)-2-hydroxy-1-[[(1S)-1-[[(1R)-2-hydroxy-2-oxo-1-(sulfanylmethyl)ethyl]carbamoyl]-3-methylsulfanyl-propyl]carbamoyl]propyl]carbamoyl]-3-oxo-propyl]amino]-2-oxo-ethyl]amino]-1-benzyl-2-oxo-ethyl]amino]-4-oxo-butanoic acid
CAS Name:	(3S)-3-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxopropyl]amino]-1,5-dioxopentyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-4-[[(2S)-1-[[2-[[(2S)-4-amino-1-[[(2S,3R)-3-hydroxy-1-[[(2S)-1-[[(2R)-1-hydroxy-3-mercapto-1-oxopropan-2-yl]amino]-4-(methylthio)-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
IUPAC Name:	(3S)-3-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]-5-oxopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-[[(2S)-1-[[2-[[(2S)-4-amino-1-[[(2S,3R)-3-hydroxy-1-[[(2S)-1-[[(2R)-1-hydroxy-1-oxo-3-sulfanylpropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
Traditional Name:	(3S)-3-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]-5-keto-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-[[(1S)-2-[[2-[[(1S)-3-amino-1-[[(1S,2R)-2-hydroxy-1-[[(1S)-1-[[(1R)-2-hydroxy-2-keto-1-(mercaptomethyl)ethyl]carbamoyl]-3-(methylthio)propyl]carbamoyl]propyl]carbamoyl]-3-keto-propyl]amino]-2-keto-ethyl]amino]-1-benzyl-2-keto-ethyl]amino]-4-keto-butyric acid
Formula:	C₅₆H₇₉N₁₅O₁₈S₂
MolecularWeight:	1314.44616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC(CCSC)C(=O)NC(CS)C(=O)O)NC(=O)C(CC(=O)N)NC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CCC(=O)N)NC(=O)C(C)NC(=O)C(C)NC(=O)C(C)N)O

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CS)C(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)CNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)N)O

InChI

InChI=1S/C56H79N15O18S2/c1-26(57)46(78)62-27(2)47(79)63-28(3)48(80)65-34(15-16-41(58)73)50(82)68-37(20-31-23-60-33-14-10-9-13-32(31)33)52(84)69-39(22-44(76)77)53(85)67-36(19-30-11-7-6-8-12-30)49(81)61-24-43(75)64-38(21-42(59)74)54(86)71-45(29(4)72)55(87)66-35(17-18-91-5)51(83)70-40(25-90)56(88)89/h6-14,23,26-29,34-40,45,60,72,90H,15-22,24-25,57H2,1-5H3,(H2,58,73)(H2,59,74)(H,61,81)(H,62,78)(H,63,79)(H,64,75)(H,65,80)(H,66,87)(H,67,85)(H,68,82)(H,69,84)(H,70,83)(H,71,86)(H,76,77)(H,88,89)/t26-,27-,28-,29+,34-,35-,36-,37-,38-,39-,40-,45-/m0/s1

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