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(3S)-3-azanyl-4-[(2S)-2-[[(2S)-6-azanyl-1-[[(2S)-1-[[(2S,3R)-1-[[(2S,3S)-1-[[(2S)-5-azanyl-1-[[(2S)-6-azanyl-1-[[(2S)-6-azanyl-1-[[(2S)-1,3-bis(oxidanyl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-ox

Systemtic Name:	(3S)-3-azanyl-4-[(2S)-2-[[(2S)-6-azanyl-1-[[(2S)-1-[[(2S,3R)-1-[[(2S,3S)-1-[[(2S)-5-azanyl-1-[[(2S)-6-azanyl-1-[[(2S)-6-azanyl-1-[[(2S)-1,3-bis(oxidanyl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-ox
Openeye Name:	(3S)-3-amino-4-[(2S)-2-[[(1S)-5-amino-1-[[(1S)-1-[[(1S,2R)-1-[[(1S,2S)-1-[[(1S)-4-amino-1-[[(1S)-5-amino-1-[[(1S)-5-amino-1-[[(1S)-2-hydroxy-1-(hydroxymethyl)-2-oxo-ethyl]carbamoyl]pentyl]carbamoyl]pentyl]carbamoyl]-4-oxo-butyl]carbamoyl]-2-methyl-butyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-4-guanidino-butyl]carbamoyl]pentyl]carbamoyl]pyrrolidin-1-yl]-4-oxo-butanoic acid
CAS Name:	(3S)-3-amino-4-[(2S)-2-[[[(2S)-6-amino-1-[[(2S)-1-[[(2S,3R)-1-[[(2S,3S)-1-[[(2S)-5-amino-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1,3-dihydroxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-4-oxobutanoic acid
IUPAC Name:	(3S)-3-amino-4-[(2S)-2-[[(2S)-6-amino-1-[[(2S)-1-[[(2S,3R)-1-[[(2S,3S)-1-[[(2S)-5-amino-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1,3-dihydroxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-oxobutanoic acid
Traditional Name:	(3S)-3-amino-4-[(2S)-2-[[(1S)-5-amino-1-[[(1S)-1-[[(1S,2R)-1-[[(1S,2S)-1-[[(1S)-4-amino-1-[[(1S)-5-amino-1-[[(1S)-5-amino-1-[[(1S)-2-hydroxy-2-keto-1-methylol-ethyl]carbamoyl]pentyl]carbamoyl]pentyl]carbamoyl]-4-keto-butyl]carbamoyl]-2-methyl-butyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-4-guanidino-butyl]carbamoyl]pentyl]carbamoyl]pyrrolidino]-4-keto-butyric acid
Formula:	C₅₁H₉₃N₁₇O₁₆
MolecularWeight:	1200.38842

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CCC(=O)N)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)O)NC(=O)C(C(C)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCCN)NC(=O)C1CCCN1C(=O)C(CC(=O)O)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)N

InChI

InChI=1S/C51H93N17O16/c1-4-27(2)39(47(80)64-34(18-19-37(56)71)44(77)61-30(13-5-8-20-52)41(74)60-31(14-6-9-21-53)43(76)65-35(26-69)50(83)84)66-48(81)40(28(3)70)67-45(78)33(16-11-23-59-51(57)58)62-42(75)32(15-7-10-22-54)63-46(79)36-17-12-24-68(36)49(82)29(55)25-38(72)73/h27-36,39-40,69-70H,4-26,52-55H2,1-3H3,(H2,56,71)(H,60,74)(H,61,77)(H,62,75)(H,63,79)(H,64,80)(H,65,76)(H,66,81)(H,67,78)(H,72,73)(H,83,84)(H4,57,58,59)/t27-,28+,29-,30-,31-,32-,33-,34-,35-,36-,39-,40-/m0/s1

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