(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-6-azanyl-1-[[(2S)-1-[[(2S)-6-azanyl-1-(carboxymethylamino)-1-oxidanylidene-hexan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-azanyl-4-methy

Systemtic Name: (4S)-5-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-6-azanyl-1-[[(2S)-1-[[(2S)-6-azanyl-1-(carboxymethylamino)-1-oxidanylidene-hexan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-azanyl-4-methy Openeye Name: (4S)-5-[[(1S)-1-[[(1S)-2-[[(1S,2S)-1-[[(1S)-1-[[(1S,2S)-1-[[(1S)-5-amino-1-[[(1S)-2-[[(1S)-5-amino-1-(carboxymethylcarbamoyl)pentyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]carbamoyl]pentyl]carbamoyl]-2-methyl-butyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-methyl-butyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]amino]-4-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-4-methylsulfanyl-butanoyl]amino]hexanoyl]amino]-5-guanidino-pentanoyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-5-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-6-amino-1-(carboxymethylamino)-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-4-(methylthio)-1-oxobutyl]amino]-1-oxohexyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-5-o IUPAC Name: (4S)-5-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-6-amino-1-(carboxymethylamino)-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-oxopenta Traditional Name: (4S)-5-[[(1S)-1-[[(1S)-2-[[(1S,2S)-1-[[(1S)-1-[[(1S,2S)-1-[[(1S)-5-amino-1-[[(1S)-2-[[(1S)-5-amino-1-(carboxymethylcarbamoyl)pentyl]amino]-2-keto-1-methylol-ethyl]carbamoyl]pentyl]carbamoyl]-2-methyl-butyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-methyl-butyl]amino]-2-keto-1-methylol-ethyl]carbamoyl]-3-methyl-butyl]amino]-4-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-4-(methylthio)butanoyl]amino]hexanoyl]amino]-5-guanidino-pentanoyl]amino]-5-keto-valeric acid Formula: C66H123N19O18S MolecularWeight: 1502.86432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C66H123N19O18S/c1-10-38(7)52(64(102)79-43(21-14-17-28-69)58(96)82-48(34-86)62(100)76-41(19-12-15-26-67)55(93)74-33-51(90)91)84-61(99)47(32-37(5)6)81-65(103)53(39(8)11-2)85-63(101)49(35-87)83-60(98)46(31-36(3)4)80-59(97)45(23-24-50(88)89)78-57(95)44(22-18-29-73-66(71)72)77-56(94)42(20-13-16-27-68)75-54(92)40(70)25-30-104-9/h36-49,52-53,86-87H,10-35,67-70H2,1-9H3,(H,74,93)(H,75,92)(H,76,100)(H,77,94)(H,78,95)(H,79,102)(H,80,97)(H,81,103)(H,82,96)(H,83,98)(H,84,99)(H,85,101)(H,88,89)(H,90,91)(H4,71,72,73)/t38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,52-,53-/m0/s1