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

Systemtic Name: (4S)-5-[(2S)-2-[[(2S)-4-azanyl-1-[[2-[[(2S)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-1-[[(2S)-3-oxidanyl-1-[[(2S)-4-oxidanyl-1,4-bis(oxidanylidene)-1-[[(2S,3R)-3-oxidanyl-1-oxidanylidene-1-[[(2S)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butan-2-yl]amino]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]propan-2-yl]amino]pentan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-1,4-bis(oxidanylidene)butan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-[[(2S)-2-[[(2S)-2,6-bis(azanyl)hexanoyl]am Openeye Name: (4S)-5-[(2S)-2-[[(1S)-3-amino-1-[[2-[[(1S)-4-guanidino-1-[[(1S)-2-[[(1S)-2-[[(1S)-3-hydroxy-1-[[(1S,2R)-2-hydroxy-1-[[(1S)-2-hydroxy-1-methyl-2-oxo-ethyl]carbamoyl]propyl]carbamoyl]-3-oxo-propyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]carbamoyl]butyl]amino]-2-oxo-ethyl]carbamoyl]-3-oxo-propyl]carbamoyl]pyrrolidin-1-yl]-4-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-5-[(2S)-2-[[[(2S)-4-amino-1-[[2-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-1-[[(2S)-3-hydroxy-1-[[(2S)-4-hydroxy-1-[[(2S,3R)-3-hydroxy-1-[[(2S)-1-hydroxy-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1,4-dioxobutan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-4-[[(2S)-2-[[(2S)-2,6-diamino-1-oxohexyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-5-[(2S)-2-[[(2S)-4-amino-1-[[2-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-1-[[(2S)-3-hydroxy-1-[[(2S)-4-hydroxy-1-[[(2S,3R)-3-hydroxy-1-[[(2S)-1-hydroxy-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1,4-dioxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-5-oxopentanoic acid Traditional Name: (4S)-5-[(2S)-2-[[(1S)-3-amino-1-[[2-[[(1S)-4-guanidino-1-[[(1S)-2-[[(1S)-2-[[(1S)-3-hydroxy-1-[[(1S,2R)-2-hydroxy-1-[[(1S)-2-hydroxy-2-keto-1-methyl-ethyl]carbamoyl]propyl]carbamoyl]-3-keto-propyl]amino]-2-keto-1-methylol-ethyl]amino]-2-keto-1-methyl-ethyl]carbamoyl]butyl]amino]-2-keto-ethyl]carbamoyl]-3-keto-propyl]carbamoyl]pyrrolidino]-4-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-5-keto-valeric acid Formula: C49H81N17O22 MolecularWeight: 1260.26814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C49H81N17O22/c1-21(38(77)64-30(20-67)44(83)62-29(18-36(75)76)43(82)65-37(23(3)68)46(85)58-22(2)48(87)88)57-41(80)25(9-6-14-55-49(53)54)59-33(70)19-56-40(79)27(16-32(52)69)63-45(84)31-10-7-15-66(31)47(86)26(11-12-34(71)72)60-42(81)28(17-35(73)74)61-39(78)24(51)8-4-5-13-50/h21-31,37,67-68H,4-20,50-51H2,1-3H3,(H2,52,69)(H,56,79)(H,57,80)(H,58,85)(H,59,70)(H,60,81)(H,61,78)(H,62,83)(H,63,84)(H,64,77)(H,65,82)(H,71,72)(H,73,74)(H,75,76)(H,87,88)(H4,53,54,55)/t21-,22-,23+,24-,25-,26-,27-,28-,29-,30-,31-,37-/m0/s1