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(4S)-5-[[(2S)-4-azanyl-1-[[(2S)-1-[[(2S)-6-azanyl-1-[[(2S)-1-[[(2R)-1-[[2-[[(2S)-1-[[(2S)-1-azanyl-3-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]amino]-4-[[(2S)-6-azanyl-2-[[(2S,3S)-2-azanyl-3-methyl-pentanoyl]amino]hexano

Systemtic Name:	(4S)-5-[[(2S)-4-azanyl-1-[[(2S)-1-[[(2S)-6-azanyl-1-[[(2S)-1-[[(2R)-1-[[2-[[(2S)-1-[[(2S)-1-azanyl-3-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]amino]-4-[[(2S)-6-azanyl-2-[[(2S,3S)-2-azanyl-3-methyl-pentanoyl]amino]hexano
Openeye Name:	(4S)-5-[[(1S)-3-amino-1-[[(1S)-1-[[(1S)-5-amino-1-[[(1S)-1-[[(1R)-2-[[2-[[(1S)-1-[[(1S)-2-amino-1-[(4-methoxyphenyl)methyl]-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]amino]-2-oxo-ethyl]amino]-2-oxo-1-(sulfanylmethyl)ethyl]carbamoyl]-3-hydroxy-3-oxo-propyl]carbamoyl]pentyl]carbamoyl]-3-methyl-butyl]carbamoyl]-3-oxo-propyl]amino]-4-[[(2S)-6-amino-2-[[(2S,3S)-2-amino-3-methyl-pentanoyl]amino]hexanoyl]amino]-5-oxo-pentanoic acid
CAS Name:	(4S)-5-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2R)-1-[[2-[[(2S)-1-[[(2S)-1-amino-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-mercapto-1-oxopropan-2-yl]amino]-4-hydroxy-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-[[(2S)-6-amino-2-[[(2S,3S)-2-amino-3-methyl-1-oxopentyl]amino]-1-oxohexyl]amino]-5-oxopentanoic acid
IUPAC Name:	(4S)-5-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2R)-1-[[2-[[(2S)-1-[[(2S)-1-amino-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-4-hydroxy-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-[[(2S)-6-amino-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]hexanoyl]amino]-5-oxopentanoic acid
Traditional Name:	(4S)-5-[[(1S)-3-amino-1-[[(1S)-1-[[(1S)-5-amino-1-[[(1S)-1-[[(1R)-2-[[2-[[(1S)-1-[[(1S)-2-amino-2-keto-1-p-anisyl-ethyl]carbamoyl]-3-methyl-butyl]amino]-2-keto-ethyl]amino]-2-keto-1-(mercaptomethyl)ethyl]carbamoyl]-3-hydroxy-3-keto-propyl]carbamoyl]pentyl]carbamoyl]-3-methyl-butyl]carbamoyl]-3-keto-propyl]amino]-4-[[(2S)-6-amino-2-[[(2S,3S)-2-amino-3-methyl-pentanoyl]amino]hexanoyl]amino]-5-keto-valeric acid
Formula:	C₅₈H₉₇N₁₅O₁₇S
MolecularWeight:	1308.54608

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CCCCN)C(=O)NC(CCC(=O)O)C(=O)NC(CC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(CC(=O)O)C(=O)NC(CS)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(CC1=CC=C(C=C1)OC)C(=O)N)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=C(C=C1)OC)C(=O)N)N

InChI

InChI=1S/C58H97N15O17S/c1-8-32(6)48(62)58(89)68-36(14-10-12-22-60)51(82)67-37(19-20-46(76)77)53(84)71-41(26-44(61)74)56(87)70-40(24-31(4)5)55(86)66-35(13-9-11-21-59)52(83)72-42(27-47(78)79)57(88)73-43(29-91)50(81)64-28-45(75)65-39(23-30(2)3)54(85)69-38(49(63)80)25-33-15-17-34(90-7)18-16-33/h15-18,30-32,35-43,48,91H,8-14,19-29,59-60,62H2,1-7H3,(H2,61,74)(H2,63,80)(H,64,81)(H,65,75)(H,66,86)(H,67,82)(H,68,89)(H,69,85)(H,70,87)(H,71,84)(H,72,83)(H,73,88)(H,76,77)(H,78,79)/t32-,35-,36-,37-,38-,39-,40-,41-,42-,43-,48-/m0/s1

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