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(4S)-4-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-6-azanyl-hexanoyl]amino]-3-methyl-pentanoyl]amino]-5-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-azanyl-1-[[(2S)-6-azanyl-1-oxidanylidene-1-[[(2R)-1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]hexan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-5-oxidanylide

Systemtic Name:	(4S)-4-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-6-azanyl-hexanoyl]amino]-3-methyl-pentanoyl]amino]-5-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-azanyl-1-[[(2S)-6-azanyl-1-oxidanylidene-1-[[(2R)-1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]hexan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-5-oxidanylide
Openeye Name:	(4S)-4-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-guanidino-pentanoyl]amino]-6-amino-hexanoyl]amino]-3-methyl-pentanoyl]amino]-5-[[(1S,2S)-1-[[(1S)-1-[[(1S)-1-[[(1S)-5-amino-1-[[(1S)-5-amino-1-[[(1R)-2-hydroxy-2-oxo-1-(sulfanylmethyl)ethyl]carbamoyl]pentyl]carbamoyl]pentyl]carbamoyl]-4-guanidino-butyl]carbamoyl]-2-methyl-propyl]carbamoyl]-2-methyl-butyl]amino]-5-oxo-pentanoic acid
CAS Name:	(4S)-4-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)-1-oxopentyl]amino]-6-amino-1-oxohexyl]amino]-3-methyl-1-oxopentyl]amino]-5-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2R)-1-hydroxy-3-mercapto-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
IUPAC Name:	(4S)-4-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-6-aminohexanoyl]amino]-3-methylpentanoyl]amino]-5-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2R)-1-hydroxy-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
Traditional Name:	(4S)-4-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-guanidino-pentanoyl]amino]-6-amino-hexanoyl]amino]-3-methyl-pentanoyl]amino]-5-[[(1S,2S)-1-[[(1S)-1-[[(1S)-1-[[(1S)-5-amino-1-[[(1S)-5-amino-1-[[(1R)-2-hydroxy-2-keto-1-(mercaptomethyl)ethyl]carbamoyl]pentyl]carbamoyl]pentyl]carbamoyl]-4-guanidino-butyl]carbamoyl]-2-methyl-propyl]carbamoyl]-2-methyl-butyl]amino]-5-keto-valeric acid
Formula:	C₅₇H₁₀₇N₁₉O₁₄S
MolecularWeight:	1314.64338

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(C(C)CC)C(=O)NC(C(C)C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CS)C(=O)O)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)C

InChI

InChI=1S/C57H107N19O14S/c1-8-32(5)44(75-50(84)38(20-12-15-27-60)70-46(80)35(67-34(7)77)21-16-28-65-56(61)62)53(87)72-40(23-24-42(78)79)51(85)76-45(33(6)9-2)54(88)74-43(31(3)4)52(86)71-39(22-17-29-66-57(63)64)48(82)68-36(18-10-13-25-58)47(81)69-37(19-11-14-26-59)49(83)73-41(30-91)55(89)90/h31-33,35-41,43-45,91H,8-30,58-60H2,1-7H3,(H,67,77)(H,68,82)(H,69,81)(H,70,80)(H,71,86)(H,72,87)(H,73,83)(H,74,88)(H,75,84)(H,76,85)(H,78,79)(H,89,90)(H4,61,62,65)(H4,63,64,66)/t32-,33-,35-,36-,37-,38-,39-,40-,41-,43-,44-,45-/m0/s1

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