(2S)-N-[(2S)-6-azanyl-1-[[(2S,3R)-1-[[2-[[2-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-azanyl-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]-1-[(2S)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-4-methyl-pentanoyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[(2S)-6-azanyl-1-[[(2S,3R)-1-[[2-[[2-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-azanyl-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]-1-[(2S)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-4-methyl-pentanoyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[(1S)-5-amino-1-[[(1S,2R)-1-[[2-[[2-[[(1S,2R)-1-[[(1S)-1-[[(1S)-1-carbamoyl-4-guanidino-butyl]carbamoyl]-4-guanidino-butyl]carbamoyl]-2-hydroxy-propyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]pentyl]-1-[(2S)-2-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]-4-methyl-pentanoyl]pyrrolidine-2-carboxamide CAS Name: (2S)-N-[(2S)-6-amino-1-[[(2S,3R)-1-[[2-[[2-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]-1-[(2S)-2-[[5-(dimethylamino)-1-naphthalenyl]sulfonylamino]-4-methyl-1-oxopentyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[(2S)-6-amino-1-[[(2S,3R)-1-[[2-[[2-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]-1-[(2S)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-4-methylpentanoyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[(1S)-5-amino-1-[[(1S,2R)-1-[[2-[[2-[[(1S,2R)-1-[[(1S)-1-[[(1S)-1-carbamoyl-4-guanidino-butyl]carbamoyl]-4-guanidino-butyl]carbamoyl]-2-hydroxy-propyl]amino]-2-keto-ethyl]amino]-2-keto-ethyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]pentyl]-1-[(2S)-4-methyl-2-(naphthionylamino)pentanoyl]pyrrolidine-2-carboxamide Formula: C53H88N18O13S MolecularWeight: 1217.44362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCCC1C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)NCC(=O)NCC(=O)NC(C(C)O)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)N)NS(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N)NC(=O)CNC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NS(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C)O

InChI

InChI=1S/C53H88N18O13S/c1-29(2)26-37(69-85(83,84)40-21-10-14-32-33(40)15-9-19-38(32)70(5)6)51(82)71-25-13-20-39(71)48(79)65-35(16-7-8-22-54)47(78)68-43(30(3)72)49(80)63-27-41(74)62-28-42(75)67-44(31(4)73)50(81)66-36(18-12-24-61-53(58)59)46(77)64-34(45(55)76)17-11-23-60-52(56)57/h9-10,14-15,19,21,29-31,34-37,39,43-44,69,72-73H,7-8,11-13,16-18,20,22-28,54H2,1-6H3,(H2,55,76)(H,62,74)(H,63,80)(H,64,77)(H,65,79)(H,66,81)(H,67,75)(H,68,78)(H4,56,57,60)(H4,58,59,61)/t30-,31-,34+,35+,36+,37+,39+,43+,44+/m1/s1